SCHEMBL7843388

SCHEMBL7843388

CCC/C=C1/OC(=O)N(CCCCCc2cccc3nccn23)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.32
TRPA1 O75762 1/20 0.32
TBXAS1 P24557 1/20 0.31
MGLL Q99685 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7843391 1.00 TLR7 (0.32) TLR7TRPA1TBXAS1MGLL
Hydrochloric Acid SCHEMBL7847709 0.99 TLR7 (0.32) TLR7TRPA1TBXAS1MGLL
Hydrochloric Acid SCHEMBL7847711 0.99 TLR7 (0.32) TLR7TRPA1TBXAS1MGLL
SCHEMBL7847011 0.83 HSD17B10 (0.34) TRPA1
SCHEMBL7847008 0.83 HSD17B10 (0.34) TRPA1
Hydrochloric Acid SCHEMBL7847068 0.82 HSD17B10 (0.34) TRPA1
Hydrochloric Acid SCHEMBL7847072 0.82 HSD17B10 (0.34) TRPA1
SCHEMBL7846231 0.81 SPHK2 (0.42) TLR7TBXAS1
SCHEMBL7846233 0.81 SPHK2 (0.42) TLR7TBXAS1
Hydrochloric Acid SCHEMBL7843444 0.80 SPHK2 (0.41) TBXAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed